Geometry & MOs

Info

ID:	413484
PubChem CID:	135086433
Reduced:	ClOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	171.068414
ΔH_f, kcal/mol:	-64.55
Dipole, Da:	2.01
IP(EA), eV:	-9.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(furan-2-yl)-1-phenylmethanimine

Drug info:

PubChemData

Smile

C=C[C@H]([C@H](C1=CC=CC=C1[C@H]([C@H](C=C)Cl)O)O)Cl

DOS

IR

Vibrations